⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL24001149 | 0.89 | — | — | |
| SCHEMBL20753658 | 0.86 | KDM4E (0.30) | — | |
| SCHEMBL24001132 | 0.85 | NPC1 (0.35) | — | |
| SCHEMBL24001058 | 0.83 | — | — | |
| SCHEMBL24001051 | 0.82 | PDE4B (0.30) | — | |
| SCHEMBL24001053 | 0.80 | LMNA (0.33) | — | |
| SCHEMBL24001057 | 0.80 | APLNR (0.30) | — | |
| SCHEMBL24000968 | 0.80 | — | — | |
| SCHEMBL20753258 | 0.80 | CLK4 (0.33) | — | |
| SCHEMBL20753726 | 0.79 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3668855-B1 | HERBICIDAL COMPOUNDS | SYNGENTA PARTICIPATIONS AG (CH) | 2021-11-10 | — | — | EP | disclosed |